input word = C00039992

Metabolite InformationStructural formula
Name Phomoxanthone A
Formula C38H38O16
Mw 750.21598517
CAS RN 359844-69-2
C_ID C00039992 ,
InChIKey OHHXJWHRQGZQJM-UHFFFAOYNA-N
InChICode InChI=1S/C38H38O16/c1-15-11-25(45)29-31(47)27-23(43)9-7-21(33(27)53-37(29,13-49-17(3)39)35(15)51-19(5)41)22-8-10-24(44)28-32(48)30-26(46)12-16(2)36(52-20(6)42)38(30,54-34(22)28)14-50-18(4)40/h7-10,15-16,35-36,43-46H,11-14H2,1-6H3/t15-,16-,35+,36+,37-,38+/m1/s1
SMILES [C@H]1(CC(=C2[C@]([C@H]1OC(=O)C)(Oc1c(C2=O)c(ccc1c1c2c(C(=O)C3=C(C[C@H]([C@@H]([C@]3(O2)COC(=O)C)OC(=O)C)C)O)c(cc1)O)O)COC(=O)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. Ref.
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